4-[5-(cyanomethyl)-2-oxidanyl-phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(cyanomethyl)-2-oxidanyl-phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(cyanomethyl)-2-hydroxy-phenyl]-4-oxo-butanoic acid CAS Name: 4-[5-(cyanomethyl)-2-hydroxyphenyl]-4-oxobutanoic acid IUPAC Name: 4-[5-(cyanomethyl)-2-hydroxyphenyl]-4-oxobutanoic acid Traditional Name: 4-[5-(cyanomethyl)-2-hydroxy-phenyl]-4-keto-butyric acid Formula: C12H11NO4 MolecularWeight: 233.22004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC#N)C(=O)CCC(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CC#N)C(=O)CCC(=O)O)O

InChI

InChI=1S/C12H11NO4/c13-6-5-8-1-2-10(14)9(7-8)11(15)3-4-12(16)17/h1-2,7,14H,3-5H2,(H,16,17)